Geometry & MOs

Info

ID:	302616
PubChem CID:	124385304
Reduced:	O3C20H34 (1)
Stoich.:	A3B20C34 (1)
Weight, g/mol:	294.219495
ΔH_f, kcal/mol:	-148.39
Dipole, Da:	6.53
IP(EA), eV:	-9.43(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,15S)-15-hydroxyoctadec-13-en-11-ynoic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](C#C/C=C/CCCCCCCCCC(=O)O)O

DOS

IR

Vibrations